CID 3422328

327079-49-2

Structural Information

Molecular Formula

C₁₇H₂₀ClN₃O₂S

SMILES

C1CCN(CC1)C2=C(C=C(C=C2)N)S(=O)(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN3O2S/c18-13-4-7-15(8-5-13)20-24(22,23)17-12-14(19)6-9-16(17)21-10-2-1-3-11-21/h4-9,12,20H,1-3,10-11,19H2

InChIKey

XURBEKRBQPXBGF-UHFFFAOYSA-N

Compound name

5-amino-N-(4-chlorophenyl)-2-piperidin-1-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2
Patents: 365.09647 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	366.10375	182.1
[M+Na]+	388.08569	188.3
[M-H]-	364.08919	189.3
[M+NH4]+	383.13029	193.3
[M+K]+	404.05963	181.1
[M+H-H2O]+	348.09373	173.7
[M+HCOO]-	410.09467	192.2
[M+CH3COO]-	424.11032	214.0
[M+Na-2H]-	386.07114	184.3
[M]+	365.09592	180.2
[M]-	365.09702	180.2

Literature stripe

literature stripe

Patent stripe

patents stripe